OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of ORYZAROL


Physiochemical Properties
Molecular Weight 402.619 nRot 18
Heavy Atom Molecular Weight 360.283 nRig 8
Exact Molecular Weight 402.313 nRing 1
Solubility: LogS -7.188 nHRing 0
Solubility: LogP 8.726 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 71 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 29 No. of Aromatic Carbocycles 1
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 42 No. of Saturated Hetero Cycles 0
No. of Carbon atom 26 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 3 No. of Arom Bond 6
nHA 3 APOL 73.8313
nHD 0 BPOL 46.4747
Medicinal Chemistry Properties
QED 0.109
Synth 2.192
Natural Product Likeliness 0.28
NR-PPAR-gamma 0.501
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.942
Pgp-sub 0.001
HIA 0.003
CACO-2 -4.843
Distribution
MDCK 0.00001
BBB 0.074
PPB 1.00523
VDSS 0.821
Metabolism
FU 0.00497462
CYP1A2-inh 0.227
CYP1A2-sub 0.202
CYP2c19-inh 0.51
CYP2c19-sub 0.068
CYP2c9-inh 0.179
CYP2c9-sub 0.955
CYP2d6-inh 0.184
CYP2d6-sub 0.876
CYP3a4-inh 0.638
CYP3a4-sub 0.093
Excretion
CL 6.067
T12 0.174
Toxicity
hERG 0.13
Ames 0.006
ROA 0.013
SkinSen 0.977
Carcinogencity 0.081
EI 0.699
Respiratory 0.597
NR-Aromatase 0.086
Antiviral Prediction
Antiviral Yes
Prediction 0.812492
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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